CID 121144

Brn 2268536

Structural Information

Molecular Formula
C10H23FNO3PS
SMILES
CCN(CCF)CCSP(=O)(OCC)OCC
InChI
InChI=1S/C10H23FNO3PS/c1-4-12(8-7-11)9-10-17-16(13,14-5-2)15-6-3/h4-10H2,1-3H3
InChIKey
SMHRQFSJWCJMHP-UHFFFAOYSA-N
Compound name
N-(2-diethoxyphosphorylsulfanylethyl)-N-ethyl-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11931 165.9
[M+Na]+ 310.10125 170.5
[M-H]- 286.10475 164.4
[M+NH4]+ 305.14585 183.1
[M+K]+ 326.07519 170.0
[M+H-H2O]+ 270.10929 156.1
[M+HCOO]- 332.11023 188.2
[M+CH3COO]- 346.12588 206.4
[M+Na-2H]- 308.08670 164.3
[M]+ 287.11148 174.5
[M]- 287.11258 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.